SCHEMBL30539359

SCHEMBL30539359

Cc1c(CO)c(C)c(CCl)c(C(C)C)c1CCl

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ AKR1B1 P15121 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30539353 0.81 — —
SCHEMBL30671673 0.80 — —
SCHEMBL30539356 0.78 GABRA1 (0.34) GABRA1GABRG2GABRB3AKR1B1
SCHEMBL4175469 0.72 KDM4E (0.33) GABRA1GABRG2GABRB3
SCHEMBL30671667 0.70 GABRA1 (0.30) GABRA1
SCHEMBL16592889 0.67 GABRA1 (0.39) GABRA1GABRG2GABRB3AKR1B1
SCHEMBL217886 0.67 KDM4E (0.31) GABRA1GABRG2GABRB3
SCHEMBL13519617 0.67 AKR1B1 (0.37) GABRA1GABRG2GABRB3AKR1B1
SCHEMBL258408 0.66 — —
SCHEMBL217789 0.66 KDM4E (0.33) GABRA1GABRG2GABRB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813451-A Substituted benzyl alcohol compound and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 — — CN disclosed
CN-116813666-A Phosphine ligand compound with benzyl alcohol group and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 — — CN disclosed
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